SCHEMBL28354538

SCHEMBL28354538

CC(CO)C(O)(O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.48
CYP2D6 P10635 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 1/20 0.48
TRPA1 O75762 3/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
TTR P02766 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
GRIN1 Q05586 6/20 0.39
GRIN2A Q12879 6/20 0.39
GRIN2D O15399 5/20 0.39
GRIN2C Q14957 5/20 0.39
GRIN2B Q13224 4/20 0.39
OPRM1 P35372 2/20 0.38
PABPC1 P11940 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27283524 0.83 CYP2D6 (0.46) CYP2C19CYP2D6ALDH1A1HSD17B10TRPA1
SCHEMBL4577934 0.83 CYP2C19 (0.63) CYP2C19CYP2D6ALDH1A1HSD17B10TRPA1
SCHEMBL27466072 0.83 CYP2C19 (0.48) CYP2C19CYP2D6ALDH1A1HSD17B10CRHBP
Ethylene Glycol SCHEMBL27726450 0.82 CYP2D6 (0.44) CYP2C19CYP2D6ALDH1A1HSD17B10TRPA1
SCHEMBL28697141 0.81 ALDH1A1 (0.47) CYP2C19CYP2D6ALDH1A1HSD17B10TRPA1
SCHEMBL31662201 0.81 CYP2D6 (0.47) CYP2C19CYP2D6ALDH1A1HSD17B10CRHBP
SCHEMBL27328709 0.80 ALDH1A1 (0.43) CYP2C19CYP2D6ALDH1A1HSD17B10TRPA1
SCHEMBL27956615 0.80 CYP2D6 (0.46) CYP2C19CYP2D6ALDH1A1HSD17B10TRPA1
SCHEMBL27689841 0.79 CYP2C19 (0.46) CYP2C19CYP2D6ALDH1A1HSD17B10TRPA1
SCHEMBL27992606 0.79 ALDH1A1 (0.42) CYP2C19CYP2D6ALDH1A1HSD17B10TRPA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110713577-B Expansion monomer modified light-cured resin and preparation method thereof 点铂医疗科技(常州)有限公司 2022-05-27 CN claimed
CN-110713577-A Expansion monomer modified light-cured resin and preparation method thereof 点铂医疗科技(常州)有限公司 2020-01-21 CN claimed
CN-110713577-B Expansion monomer modified light-cured resin and preparation method thereof 点铂医疗科技(常州)有限公司 2022-05-27 CN disclosed
CN-110713577-A Expansion monomer modified light-cured resin and preparation method thereof 点铂医疗科技(常州)有限公司 2020-01-21 CN disclosed
CN-101605854-B Antireflective coating composition AZ ELECTRONIC MATERIALS USA 2012-07-25 CN disclosed
CN-101142252-B Aromatic isocyanate compound containing (meth) acryloyl group and method for producing same SHOWA DENKO KK 2011-08-03 CN disclosed
CN-101084186-B Isocyanate compound and process for producing the same, and reactive monomer, reactive (meth)acrylate polymer and its use SHOWA DENKO KK 2011-05-11 CN disclosed
CN-101605854-A Antireflective coating composition AZ ELECTRONIC COATING COMPOSIT (US) 2009-12-16 CN disclosed
CN-101223205-A Novel organic bottom antireflective polymer compositions AZ ELECTRONIC MATERIALS USA (US) 2008-07-16 CN disclosed
CN-101142252-A Aromatic isocyanate compound containing (meth) acryloyl group and method for producing same SHOWA DENKO KK (JP) 2008-03-12 CN disclosed
CN-101084186-A Ethylenically unsaturated group-containing isocyanate compound and process for producing the same, and reactive monomer, reactive (meth)acrylate polymer and its use SHOWA DENKO KK (JP) 2007-12-05 CN disclosed
CN-1938372-A Thermosetting composition and curing method thereof SHOWA DENKO KK (JP) 2007-03-28 CN disclosed